Document and Data Source Questions

How can I extract patent data from ChEMBL?

On the interface:

Select the documents view from the main ChEMBL homepage -

Use the lefthand filter panel to select patents -

Local version of the database:

Selected patent data is available in ChEMBL under SRC_ID 38. Patent data from Binding DB is included under SRC_ID 37.

Details on the selection of patents can be found in this publication.

More details can be found in this Blog post.

We also have an API endpoint: https://www.ebi.ac.uk/chembl/api/data/document_similarity

What data sources are stored in ChEMBL?

ChEMBL consists of data from a wide variety of data sources including scientific literature and patents, deposited data sets, PubChem BioAssay and BindingDB databases, toxicology data sets and drug/clinical candidate resources. The current list of sources is:

SourceSource ID

Scientific Literature

1

GSK Malaria Screening

2

Novartis Malaria Screening

3

St Jude Malaria Screening

4

Sanger Institute Genomics of Drug Sensitivity in Cancer

5

PDBe Ligands

6

PubChem BioAssays

7

Clinical Candidates

8

Orange Book

9

Guide to Receptors and Channels (DEPRECATED)

10

Open TG-GATEs

11

Manually Added Drugs

12

USP Dictionary of USAN and International Drug Names

13

Drugs for Neglected Diseases Initiative (DNDi)

14

DrugMatrix

15

GSK Published Kinase Inhibitor Set

16

MMV Malaria Box

17

TP-search Transporter Database

18

Harvard Malaria Screening

19

WHO-TDR Malaria Screening

20

Deposited Supplementary Bioactivity Data

21

GSK Tuberculosis Screening

22

Open Source Malaria Screening

23

Millipore Kinase Screening (DEPRECATED - MERGED WITH SRC_ID = 1

24

External Project Compounds

25

Gene Expression Atlas Compounds

26

AstraZeneca Deposited Data

27

FDA Approval Packages

28

GSK Kinetoplastid Screening

29

K4DD Project

30

Curated Drug Metabolism Pathways

31

St Jude Leishmania Screening

32

Gates Library compound collection

33

MMV Pathogen Box

34

HeCaToS Compounds

35

Withdrawn Drugs

36

BindingDB Database

37

Patent Bioactivity Data

38

Curated Drug Pharmacokinetic Data

39

CO-ADD antimicrobial screening data

40

WHO Anatomical Therapeutic Chemical Classification

41

British National Formulary

42

Published Kinase Inhibitor Set 2

43

Kuster lab chemical proteomics drug profiling

48

HESi

49

Winzeler Lab Plasmodium Screening Data

51

SARS-CoV-2 Screening Data 2020-21

52

Prodrug active ingredients

53

Donated Chemical Probes - SGC Frankfurt

54

EUbOPEN Chemogenomic Library

55

Salvensis and LSHTM Schistosomiasis screening data

56

IMI-CARE SARS-CoV-2 Data

57

Fraunhofer HDAC6

59

MMV Malaria HGL

60

International Nonproprietary Names

63

Cardiff Schistosomiasis Dataset 2023

64

Literature data from EUbOPEN Chemogenomic Library

65

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